CID 46204204

Tert-butyl 4-chloro-3-formylpyridin-2-ylcarbamate

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
CC(C)(C)OC(=O)NC1=NC=CC(=C1C=O)Cl
InChI
InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKey
QWVXQYZWGQFXPU-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chloro-3-formylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

256.06146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 154.6
[M+Na]+ 279.05068 163.7
[M-H]- 255.05418 157.5
[M+NH4]+ 274.09528 171.4
[M+K]+ 295.02462 160.6
[M+H-H2O]+ 239.05872 148.9
[M+HCOO]- 301.05966 172.3
[M+CH3COO]- 315.07531 194.5
[M+Na-2H]- 277.03613 159.9
[M]+ 256.06091 159.3
[M]- 256.06201 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe